Author

Oliver T. Unke

2 papers indexed here

We haven’t gathered this author’s papers yet. Follow them and we’ll fetch their work.

Not the right person? Other researchers publish under this name.

Preprint Nov 2026

SO3LR Tauri: Generally Applicable Force Fields for Reactive (Bio)Molecular Simulations Covering the Periodic Table

Machine-learned force fields (MLFFs) aim to create a unified model that describes all major classes of (bio)molecules at quantum-mechanical accuracy. We present SO3LR Tauri, a family of MLFFs developed toward this goal, coupling a fast SO3krates network to explicit, physics-based interaction modules: pair-specific shor...

A. Kabylda, F. Brunig, Miguel Gallegos et al. · 0 citations

#machine learning Dec 2025

Control Variate Score Matching for Diffusion Models

The Control Variate Score Identity (CVSI) is introduced, an unbiased estimator with an analytically optimal, state- and time-dependent control coefficient that theoretically minimizes variance over the entire diffusion process in data-free sampler learning and training-free diffusion sampling.

Khaled Kahouli, R. Élie, Klaus-Robert Müller et al. · arXiv.org · 5 citations · ⚡1